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Chemical ID: 6825897
Chemical ID:
6825897
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
InChi [?]:
InChI=1/C30H27NO6/c1-3-4-13-34-21-9-7-20(8-10-21)27-26-28(32)22-14-18(2)5-11-23(22)37-29(26)30(33)31(27)16-19-6-12-24-25(15-19)36-17-35-24/h5-12,14-15,27H,3-4,13,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,2,3,19,29,8,10,7,11,20,30,4,17,33,27,35,18,28,9,6,16,21,31,32,13,12,14,23,24,26,15,25,5,36,34,22/E:(7,8)(9,10)/rA:37cCCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;d29;s30;d31;d28s32;s32;s34;s31s35;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27NO6 |
All Atoms: | 64 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1416 |
Area: | 692.44 |
Solvation: | -6.16942 |
Coulombic: | -59.7739 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 497.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.54 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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